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· · COA & SDS available for every product · Same-day shipping on in-stock items berotralstat - Moligand™ , Inhibitor of kallikrein B1, CAS No.1809010-50-1, Inhibitor of kallikrein B1
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. Synonyms
EU-0100725 | EX-A5537 | HY-109127 | Tin, rod, 500mm, diameter 9.5mm, 99.75% | BDBM50602174 | Q413540 | Orladeyo | 1-[3-(aminomethyl)phenyl]-N-{5-[(R)-(3-cyanophenyl)[(cyclopropylmethyl)amino]methyl]-2-fluorophenyl}-3-(trifluoromethyl)-1H-pyrazole-5-carbox
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Why this grade Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
EU-0100725 | EX-A5537 | HY-109127 | Tin, rod, 500mm, diameter 9.5mm, 99.75% | BDBM50602174 | Q413540 | Orladeyo | 1-[3-(aminomethyl)phenyl]-N-{5-[(R)-(3-cyanophenyl)[(cyclopropylmethyl)amino]methyl]-2-fluorophenyl}-3-(trifluoromethyl)-1H-pyrazole-5-carbox
Specifications & Purity
Moligand™
Mechanism of action
Inhibitor of kallikrein B1
Names and Identifiers Canonical Smiles C1CC1CNC(C2=CC(=C(C=C2)F)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)C5=CC=CC(=C5)C#N IUPAC Name 2-[3-(aminomethyl)phenyl]-N-[5-[(R)-(3-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide InChIKey UXNXMBYCBRBRFD-MUUNZHRXSA-N INCHI 1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41)/t28-/m1/s1 Isomeric SMILES C1CC1CN[C@@H](C2=CC(=C(C=C2)F)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)C5=CC=CC(=C5)C#N Alternate CAS 1809010-50-1 PubChem CID 137528262 MeSH Entry Terms 1-(3-(aminomethyl)phenyl)-N-(5-((R)-(3-cyanophenyl)((cyclopropylmethyl)amino)methyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide;1H-pyrazole-5-carboxamide, 1-(3-(aminomethyl)phenyl)-N-(5-((R)-(3-cyanophenyl)((cyclopropylmethyl);BCX-7353;
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Anilides Intermediate Tree Nodes Not available Direct Parent Aromatic anilides Alternative Parents Diphenylmethanes Phenylpyrazoles Pyrazole-5-carboxamides Phenylmethylamines Benzylamines Benzonitriles 2-heteroaryl carboxamides Fluorobenzenes Aralkylamines Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Nitriles Dialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic heteromonocyclic compounds Substituents Aromatic anilide - Diphenylmethane - Phenylpyrazole - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Phenylmethylamine - Benzylamine - Benzonitrile - Aralkylamine - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Heteroaromatic compound - Pyrazole - Azole - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Nitrile - Carbonitrile - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 562.600 g/mol XLogP3 4.500 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 9 Rotatable Bond Count 9 Exact Mass 562.21 Da Monoisotopic Mass 562.21 Da Topological Polar Surface Area 109.000 Ų Heavy Atom Count 41 Formal Charge 0 Complexity 938.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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